3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide

C11H20N4O2S — CID 113485263

IUPAC3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2(C)CCC2)c(N)n1
InChIInChI=1S/C11H20N4O2S/c1-3-7-15-8-9(10(12)13-15)18(16,17)14-11(2)5-4-6-11/h8,14H,3-7H2,1-2H3,(H2,12,13)
InChIKeyVRRATHLHUHXEPJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.10
Rot. Bonds5

About 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 113485263) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide
PubChem CID113485263
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2(C)CCC2)c(N)n1
InChIInChI=1S/C11H20N4O2S/c1-3-7-15-8-9(10(12)13-15)18(16,17)14-11(2)5-4-6-11/h8,14H,3-7H2,1-2H3,(H2,12,13)
InChIKeyVRRATHLHUHXEPJ-UHFFFAOYSA-N
XLogP1.10
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide
CID 113488577
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 107843691
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106022301
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61170162
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504
3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
CID 60808316
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide (CID 113485263) is 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC2(C)CCC2)c(N)n1.
What is the InChIKey of 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is VRRATHLHUHXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-7-15-8-9(10(12)13-15)18(16,17)14-11(2)5-4-6-11/h8,14H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 113485263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).